1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

C19H24N4O2 — CID 50966503

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nonc1C1CCCN1CCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c1-14-19(21-25-20-14)17-7-4-10-22(17)12-9-18(24)23-11-8-15-5-2-3-6-16(15)13-23/h2-3,5-6,17H,4,7-13H2,1H3
InChIKeyQATZCYIXDSVLSU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.49
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 50966503) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID50966503
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nonc1C1CCCN1CCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c1-14-19(21-25-20-14)17-7-4-10-22(17)12-9-18(24)23-11-8-15-5-2-3-6-16(15)13-23/h2-3,5-6,17H,4,7-13H2,1H3
InChIKeyQATZCYIXDSVLSU-UHFFFAOYSA-N
XLogP2.49
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16188271
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(1-naphthylmethyl)-5-oxo-3-pyrrolidinyl]acetamide
CID 45247800
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}acetamide
CID 45191343
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45198042
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 42591837
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 42591838
[3-[1-[(2,3-Difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 45206643
7-(2,3-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45597579
2-(4-Fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidine
CID 86286468
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 91834572
3-(4-Fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 91946591

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one (CID 50966503) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one is Cc1nonc1C1CCCN1CCC(=O)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QATZCYIXDSVLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-19(21-25-20-14)17-7-4-10-22(17)12-9-18(24)23-11-8-15-5-2-3-6-16(15)13-23/h2-3,5-6,17H,4,7-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 50966503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).